#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x69 n SER 2 N 0.00 0.65 -4.27 1.61 3.41 -1.26 -5.03 113.62 108.72 1x69 n SER 2 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 1x69 n SER 2 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 1x69 n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x69 n SER 3 N -2.13 -3.33 -3.76 4.04 2.88 -1.26 -5.00 113.62 105.06 1x69 n SER 3 Ca 0.00 0.49 -0.06 0.00 -1.33 0.00 0.00 58.87 57.97 1x69 n SER 3 Cb 0.14 -0.98 -0.02 0.00 -0.75 0.00 0.00 64.21 62.60 1x69 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x69 s GLY 4 N -1.22 -0.21 -0.70 0.46 0.00 -1.26 -5.10 107.32 99.29 1x69 s GLY 4 Ca 0.56 0.01 -0.27 0.00 0.00 0.00 0.00 44.72 45.01 1x69 s GLY 4 CO 0.68 -0.01 1.38 -0.56 0.00 0.00 0.00 173.10 174.59 1x69 s SER 5 N -2.90 6.03 -0.29 1.64 0.01 -1.26 -4.91 113.70 112.02 1x69 s SER 5 Ca 0.11 -0.24 -0.23 0.00 1.31 0.00 0.00 55.95 56.90 1x69 s SER 5 Cb -0.03 -2.55 0.17 0.00 0.21 0.00 0.00 66.02 63.81 1x69 s SER 5 CO 0.03 -1.90 1.26 -0.94 0.41 0.00 0.00 173.24 172.10 1x69 s SER 6 N 4.45 -0.20 -0.24 2.44 1.04 -1.26 -5.04 113.70 114.89 1x69 s SER 6 Ca 0.42 0.37 -0.06 0.00 0.48 0.00 0.00 55.95 57.16 1x69 s SER 6 Cb -0.09 0.55 -0.16 0.00 0.10 0.00 0.00 66.02 66.42 1x69 s SER 6 CO 0.17 -0.06 3.33 0.61 0.98 0.00 0.00 173.24 178.27 1x69 n GLY 7 N 2.18 3.49 3.16 7.32 0.00 -1.26 -4.85 105.19 115.23 1x69 n GLY 7 Ca -0.13 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 1x69 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x69 s THR 8 N 0.10 1.79 1.10 2.61 2.01 -1.26 -5.13 115.64 116.86 1x69 s THR 8 Ca 0.65 -0.86 -0.18 0.00 0.31 0.00 0.00 61.69 61.61 1x69 s THR 8 Cb 0.33 -1.56 0.13 0.00 0.01 0.00 0.00 72.50 71.41 1x69 s THR 8 CO -0.07 0.50 0.08 0.00 -0.69 0.00 0.00 174.62 174.44 1x69 n TYR 9 N 3.59 -1.84 -3.44 4.92 4.11 -1.26 -5.04 117.16 118.20 1x69 n TYR 9 Ca -0.20 0.06 0.01 0.00 -0.00 0.00 0.00 57.90 57.78 1x69 n TYR 9 Cb 0.53 -1.48 -0.03 0.00 -0.00 0.00 0.00 39.34 38.35 1x69 n TYR 9 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.86 177.02 1x69 s ASP 10 N -1.91 -0.96 0.28 9.48 1.47 -1.26 -5.14 116.67 118.63 1x69 s ASP 10 Ca 0.49 1.10 -0.28 0.00 1.18 0.00 0.00 52.55 55.04 1x69 s ASP 10 Cb -0.09 2.01 -0.14 0.00 -0.34 0.00 0.00 42.92 44.36 1x69 s ASP 10 CO 0.54 -0.18 1.00 -0.62 0.68 0.00 0.00 175.17 176.59 1x69 n GLU 11 N 5.31 1.28 -3.18 2.11 -0.58 -1.26 -4.93 120.64 119.39 1x69 n GLU 11 Ca -0.09 0.45 -0.39 0.00 -0.42 0.00 0.00 57.16 56.72 1x69 n GLU 11 Cb 0.51 -1.81 -0.05 0.00 -0.57 0.00 0.00 31.44 29.51 1x69 n GLU 11 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1x69 s TYR 12 N -1.00 3.66 0.30 -0.32 6.14 -1.26 -5.07 117.35 119.80 1x69 s TYR 12 Ca 0.60 1.20 0.03 0.00 0.64 0.00 0.00 57.07 59.53 1x69 s TYR 12 Cb -0.72 -2.64 -0.04 0.00 0.42 0.00 0.00 41.96 38.98 1x69 s TYR 12 CO 0.59 0.30 0.16 -1.21 0.64 0.00 0.00 175.55 176.03 1x69 s GLU 13 N 0.00 1.58 0.00 4.97 0.41 -1.26 -5.09 118.70 119.31 1x69 s GLU 13 Ca 0.32 -1.90 0.00 0.00 -0.41 0.00 0.00 54.97 52.98 1x69 s GLU 13 Cb -0.18 -0.10 0.00 0.00 -1.78 0.00 0.00 34.13 32.07 1x69 s GLU 13 CO 0.17 -0.44 0.00 0.27 -0.49 0.00 0.00 175.26 174.77 1x69 n ASN 14 N -0.90 0.62 -4.15 -0.19 6.94 -1.26 -4.97 115.26 111.35 1x69 n ASN 14 Ca 0.01 0.00 -0.38 0.00 -0.02 0.00 0.00 54.58 54.19 1x69 n ASN 14 Cb 0.65 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.98 1x69 n ASN 14 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1x69 s ASP 15 N -4.66 5.50 0.03 0.53 1.01 -1.26 -4.93 116.67 112.89 1x69 s ASP 15 Ca 0.00 -2.49 -0.20 0.00 0.71 0.00 0.00 52.55 50.56 1x69 s ASP 15 Cb 0.00 -1.92 -0.17 0.00 1.01 0.00 0.00 42.92 41.84 1x69 s ASP 15 CO 0.00 -0.49 1.27 -0.07 0.21 0.00 0.00 175.17 176.09 1x69 h LEU 16 N 7.59 0.41 0.00 1.23 3.38 -1.99 -3.45 115.31 122.49 1x69 h LEU 16 Ca -0.06 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1x69 h LEU 16 Cb 1.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1x69 h LEU 16 CO 0.74 0.90 0.00 0.61 0.09 0.00 0.00 178.44 180.79 1x69 n GLY 17 N 0.45 0.41 3.78 0.83 0.00 -1.26 0.52 105.19 109.92 1x69 n GLY 17 Ca -0.07 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 1x69 n GLY 17 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x69 s ILE 18 N 0.00 3.38 -0.01 -0.61 1.09 -1.26 -4.79 121.20 119.00 1x69 s ILE 18 Ca 0.00 1.06 0.01 0.00 -1.10 0.00 0.00 60.65 60.62 1x69 s ILE 18 Cb 0.00 -3.55 -0.00 0.00 -1.06 0.00 0.00 42.46 37.85 1x69 s ILE 18 CO 0.00 0.01 -0.04 0.42 -0.10 0.00 0.00 174.94 175.23 1x69 s THR 19 N -1.58 0.32 0.04 2.92 -4.23 -1.26 -2.93 115.64 108.93 1x69 s THR 19 Ca 0.60 -0.15 0.02 0.00 -1.18 0.00 0.00 61.69 60.98 1x69 s THR 19 Cb -0.26 -0.29 -0.02 0.00 1.34 0.00 0.00 72.50 73.27 1x69 s THR 19 CO 0.32 0.10 -0.08 0.00 -0.54 0.00 0.00 174.62 174.42 1x69 s ALA 20 N 0.02 0.56 -0.13 3.99 0.00 -1.18 -0.97 121.76 124.06 1x69 s ALA 20 Ca 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 1x69 s ALA 20 Cb -0.03 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 1x69 s ALA 20 CO -0.00 -0.02 -0.02 0.54 0.00 0.00 0.00 175.76 176.26 1x69 s VAL 21 N -1.37 4.11 0.44 0.00 0.11 -0.44 -0.20 120.40 123.05 1x69 s VAL 21 Ca -0.10 -0.30 -0.23 0.00 -2.93 0.00 0.00 61.98 58.42 1x69 s VAL 21 Cb -0.10 -2.77 -0.08 0.00 -1.53 0.00 0.00 36.38 31.90 1x69 s VAL 21 CO 0.00 0.54 1.10 0.00 -3.33 0.00 0.00 175.10 173.41 1x69 s ALA 22 N -0.16 3.01 -0.16 1.54 0.00 0.62 0.11 121.76 126.70 1x69 s ALA 22 Ca 0.04 0.80 0.06 0.00 0.00 0.00 0.00 51.96 52.86 1x69 s ALA 22 Cb -0.13 -3.32 -0.14 0.00 0.00 0.00 0.00 23.12 19.53 1x69 s ALA 22 CO 0.02 -0.43 -0.07 1.28 0.00 0.00 0.00 175.76 176.56 1x69 n LEU 23 N -0.37 1.69 -4.15 0.00 4.77 0.01 0.71 117.00 119.66 1x69 n LEU 23 Ca 0.07 -0.06 -0.14 0.00 -0.03 0.00 0.00 56.01 55.85 1x69 n LEU 23 Cb 0.49 -0.21 -0.11 0.00 -2.33 0.00 0.00 43.42 41.26 1x69 n LEU 23 CO 0.46 0.61 -0.42 -0.31 -1.33 0.00 0.00 177.39 176.40 1x69 s TYR 24 N -2.36 0.98 0.35 -1.77 1.51 -1.24 -4.56 117.35 110.26 1x69 s TYR 24 Ca -0.17 -0.60 -0.28 0.00 -1.01 0.00 0.00 57.07 55.01 1x69 s TYR 24 Cb 0.05 -0.55 -0.12 0.00 -0.11 0.00 0.00 41.96 41.24 1x69 s TYR 24 CO 0.49 -0.02 1.45 -0.40 -1.11 0.00 0.00 175.55 175.96 1x69 n ASP 25 N 0.87 3.51 -3.73 2.29 5.68 -1.26 -4.31 116.55 119.60 1x69 n ASP 25 Ca -0.18 1.21 -0.18 0.00 -0.50 0.00 0.00 54.79 55.14 1x69 n ASP 25 Cb 0.56 -1.58 -0.17 0.00 -1.14 0.00 0.00 41.12 38.80 1x69 n ASP 25 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1x69 s TYR 26 N -0.93 0.09 -0.39 2.11 6.14 -0.83 -4.95 117.35 118.57 1x69 s TYR 26 Ca 0.56 0.17 0.03 0.00 0.64 0.00 0.00 57.07 58.46 1x69 s TYR 26 Cb -0.51 -0.37 0.11 0.00 0.42 0.00 0.00 41.96 41.61 1x69 s TYR 26 CO 0.61 -0.14 0.12 1.14 0.64 0.00 0.00 175.55 177.92 1x69 s GLN 27 N 1.57 1.67 0.22 4.97 -2.07 -1.26 -1.14 119.66 123.61 1x69 s GLN 27 Ca -0.03 -2.06 -0.23 0.00 -1.82 0.00 0.00 55.36 51.23 1x69 s GLN 27 Cb -0.13 -3.28 -0.14 0.00 -1.09 0.00 0.00 33.01 28.37 1x69 s GLN 27 CO -0.03 -1.00 0.35 0.00 -1.32 0.00 0.00 175.29 173.29 1x69 n ALA 28 N 4.01 -2.67 0.08 2.60 0.00 -1.24 -4.88 120.51 118.41 1x69 n ALA 28 Ca 0.04 0.30 -0.16 0.00 0.00 0.00 0.00 53.44 53.62 1x69 n ALA 28 Cb 0.40 -1.36 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 1x69 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x69 h ALA 29 N 0.70 0.20 -3.00 0.00 0.00 -1.93 -3.47 119.26 111.77 1x69 h ALA 29 Ca -0.26 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.64 1x69 h ALA 29 Cb 1.25 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1x69 h ALA 29 CO 0.47 1.07 0.00 0.41 0.00 0.00 0.00 179.25 181.20 1x69 n GLY 30 N 1.60 6.80 0.14 0.00 0.00 -1.26 -5.06 105.19 107.41 1x69 n GLY 30 Ca -0.13 -1.85 -0.23 0.00 0.00 0.00 0.00 46.02 43.81 1x69 n GLY 30 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1x69 h ASP 31 N 0.00 0.66 -0.67 1.61 2.03 -2.02 -3.34 116.42 114.68 1x69 h ASP 31 Ca 0.00 -0.92 0.10 0.00 -0.73 0.00 0.00 57.03 55.47 1x69 h ASP 31 Cb 0.00 -0.21 -0.07 0.00 -0.83 0.00 0.00 39.33 38.21 1x69 h ASP 31 CO 0.00 1.70 0.30 -2.24 -1.03 0.00 0.00 179.24 177.97 1x69 h ASP 32 N 0.02 0.36 -4.14 4.15 3.04 -1.96 -3.42 116.42 114.47 1x69 h ASP 32 Ca -0.29 0.07 -0.46 0.00 -3.24 0.00 0.00 57.03 53.11 1x69 h ASP 32 Cb 2.03 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 40.34 1x69 h ASP 32 CO 0.20 0.20 0.36 -1.61 -2.04 0.00 0.00 179.24 176.35 1x69 s GLU 33 N -6.07 4.07 0.07 4.15 2.02 -1.26 -0.70 118.70 120.98 1x69 s GLU 33 Ca -0.13 1.03 0.07 0.00 0.02 0.00 0.00 54.97 55.96 1x69 s GLU 33 Cb 0.18 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.22 1x69 s GLU 33 CO 0.76 -0.17 -0.13 0.96 0.02 0.00 0.00 175.26 176.69 1x69 s ILE 34 N -2.43 3.16 -0.22 -1.63 -4.36 -1.06 -4.71 121.20 109.95 1x69 s ILE 34 Ca 0.60 -1.19 -0.07 0.00 -0.26 0.00 0.00 60.65 59.74 1x69 s ILE 34 Cb -0.10 -2.41 -0.03 0.00 1.25 0.00 0.00 42.46 41.17 1x69 s ILE 34 CO 0.23 0.23 0.06 -0.94 0.24 0.00 0.00 174.94 174.76 1x69 s SER 35 N -1.81 5.26 0.07 4.36 1.04 -1.26 -3.68 113.70 117.68 1x69 s SER 35 Ca 0.18 -0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.54 1x69 s SER 35 Cb -0.11 -1.92 -0.03 0.00 0.10 0.00 0.00 66.02 64.06 1x69 s SER 35 CO 0.09 0.05 -0.10 0.72 0.98 0.00 0.00 173.24 174.98 1x69 s PHE 36 N 1.09 0.98 0.59 5.02 -0.12 -0.29 -4.91 117.98 120.34 1x69 s PHE 36 Ca 0.04 -0.57 -0.08 0.00 -0.05 0.00 0.00 56.93 56.26 1x69 s PHE 36 Cb -0.14 -0.55 -0.02 0.00 -0.63 0.00 0.00 43.02 41.68 1x69 s PHE 36 CO 0.03 -0.02 0.95 -0.51 -0.05 0.00 0.00 175.22 175.62 1x69 s ASP 37 N -2.04 5.96 0.38 1.98 1.11 -1.26 -1.97 116.67 120.82 1x69 s ASP 37 Ca -0.01 1.09 -0.26 0.00 0.18 0.00 0.00 52.55 53.55 1x69 s ASP 37 Cb -0.06 -2.15 -0.09 0.00 1.07 0.00 0.00 42.92 41.69 1x69 s ASP 37 CO 0.00 -0.92 1.20 -2.16 1.18 0.00 0.00 175.17 174.47 1x69 s PRO 38 N -5.06 4.16 -0.48 8.23 0.04 -1.26 -3.26 135.00 137.37 1x69 s PRO 38 Ca 0.53 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1x69 s PRO 38 Cb -0.11 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1x69 s PRO 38 CO 0.49 -0.26 0.00 -0.25 0.04 0.00 0.00 177.00 177.02 1x69 n ASP 39 N 0.32 -2.60 -4.56 6.66 8.00 0.22 -4.94 116.55 119.66 1x69 n ASP 39 Ca 0.03 0.03 -0.34 0.00 0.71 0.00 0.00 54.79 55.22 1x69 n ASP 39 Cb 0.45 -1.62 -0.11 0.00 -0.02 0.00 0.00 41.12 39.82 1x69 n ASP 39 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1x69 s ASP 40 N -2.81 4.83 0.02 -2.24 1.11 -1.20 -4.77 116.67 111.62 1x69 s ASP 40 Ca 0.00 -0.04 -0.16 0.00 0.18 0.00 0.00 52.55 52.53 1x69 s ASP 40 Cb 0.00 -1.51 -0.06 0.00 1.07 0.00 0.00 42.92 42.42 1x69 s ASP 40 CO 0.00 0.28 0.46 -0.63 1.18 0.00 0.00 175.17 176.46 1x69 s ILE 41 N -0.29 4.93 0.15 0.77 1.09 -1.26 -0.28 121.20 126.32 1x69 s ILE 41 Ca 0.05 0.97 0.07 0.00 -1.10 0.00 0.00 60.65 60.64 1x69 s ILE 41 Cb -0.13 -3.78 -0.04 0.00 -1.06 0.00 0.00 42.46 37.46 1x69 s ILE 41 CO 0.02 0.57 -0.04 -0.63 -0.10 0.00 0.00 174.94 174.76 1x69 s ILE 42 N -1.07 3.59 0.18 2.92 1.09 0.73 -4.83 121.20 123.81 1x69 s ILE 42 Ca 0.26 -1.38 0.08 0.00 -1.10 0.00 0.00 60.65 58.50 1x69 s ILE 42 Cb -0.18 -2.77 -0.04 0.00 -1.06 0.00 0.00 42.46 38.41 1x69 s ILE 42 CO 0.15 -0.04 -0.16 0.42 -0.10 0.00 0.00 174.94 175.21 1x69 s THR 43 N -1.57 1.73 -1.16 2.92 -4.23 -1.13 -3.09 115.64 109.10 1x69 s THR 43 Ca 0.26 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.67 1x69 s THR 43 Cb -0.10 -1.89 0.01 0.00 1.34 0.00 0.00 72.50 71.86 1x69 s THR 43 CO 0.17 -0.45 0.98 0.59 -0.54 0.00 0.00 174.62 175.37 1x69 n ASN 44 N 0.03 -5.71 -4.70 3.99 5.03 0.19 -0.22 115.26 113.86 1x69 n ASN 44 Ca -0.11 -0.44 -0.42 0.00 0.87 0.00 0.00 54.58 54.47 1x69 n ASN 44 Cb 0.58 -4.33 -0.03 0.00 -1.02 0.00 0.00 39.78 34.98 1x69 n ASN 44 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1x69 s ILE 45 N -3.26 4.22 -0.15 2.41 1.01 -1.15 -3.64 121.20 120.64 1x69 s ILE 45 Ca 0.48 1.58 -0.03 0.00 0.00 0.00 0.00 60.65 62.69 1x69 s ILE 45 Cb -0.21 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 1x69 s ILE 45 CO 0.60 0.08 -0.06 -1.61 0.00 0.00 0.00 174.94 173.95 1x69 s GLU 46 N 1.45 3.57 -0.62 2.79 2.02 0.16 -4.42 118.70 123.66 1x69 s GLU 46 Ca 0.57 -0.56 -0.22 0.00 0.02 0.00 0.00 54.97 54.77 1x69 s GLU 46 Cb -0.27 -2.83 0.07 0.00 0.10 0.00 0.00 34.13 31.20 1x69 s GLU 46 CO 0.27 0.25 0.90 -1.64 0.02 0.00 0.00 175.26 175.05 1x69 s MET 47 N 0.31 3.14 -0.11 1.61 -1.94 -1.26 -2.00 119.30 119.05 1x69 s MET 47 Ca -0.05 -0.80 -0.13 0.00 -1.71 0.00 0.00 55.69 53.00 1x69 s MET 47 Cb -0.15 -4.19 -0.04 0.00 2.01 0.00 0.00 34.83 32.46 1x69 s MET 47 CO 0.04 -1.67 -0.25 -0.89 -0.01 0.00 0.00 175.02 172.24 1x69 n ILE 48 N 5.89 1.23 -3.54 2.53 5.41 -1.26 -5.05 119.36 124.58 1x69 n ILE 48 Ca -0.04 0.22 -0.20 0.00 1.00 0.00 0.00 62.75 63.73 1x69 n ILE 48 Cb 0.45 -2.10 -0.02 0.00 -0.71 0.00 0.00 39.64 37.27 1x69 n ILE 48 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1x69 s ASP 49 N -5.66 5.49 -0.09 4.38 2.15 -1.10 -4.99 116.67 116.85 1x69 s ASP 49 Ca -0.20 -0.45 0.01 0.00 0.43 0.00 0.00 52.55 52.34 1x69 s ASP 49 Cb 0.03 -0.92 0.14 0.00 -0.30 0.00 0.00 42.92 41.87 1x69 s ASP 49 CO 0.30 -0.50 1.14 0.47 -0.17 0.00 0.00 175.17 176.41 1x69 n ASP 50 N -1.55 3.02 0.00 -0.34 8.00 -1.26 -3.88 116.55 120.53 1x69 n ASP 50 Ca 0.01 -2.31 0.00 0.00 0.71 0.00 0.00 54.79 53.20 1x69 n ASP 50 Cb 0.60 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1x69 n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x69 n GLY 51 N 0.16 0.08 3.45 0.44 0.00 -1.26 -5.06 105.19 103.01 1x69 n GLY 51 Ca 0.11 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1x69 n GLY 51 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x69 s TRP 52 N -0.94 2.54 0.22 1.61 0.52 -1.25 -0.29 118.94 121.35 1x69 s TRP 52 Ca 0.00 -0.27 0.03 0.00 0.02 0.00 0.00 56.10 55.88 1x69 s TRP 52 Cb 0.00 -1.44 -0.05 0.00 -1.15 0.00 0.00 33.47 30.83 1x69 s TRP 52 CO 0.00 0.26 0.02 -1.58 0.02 0.00 0.00 176.95 175.67 1x69 s TRP 53 N -0.95 1.46 -0.14 -1.98 0.51 0.55 -2.70 118.94 115.69 1x69 s TRP 53 Ca 0.15 -1.00 -0.01 0.00 -2.12 0.00 0.00 56.10 53.12 1x69 s TRP 53 Cb -0.10 -0.85 0.04 0.00 -0.81 0.00 0.00 33.47 31.75 1x69 s TRP 53 CO 0.06 -0.14 -0.01 1.03 -0.51 0.00 0.00 176.95 177.38 1x69 s ARG 54 N -3.91 0.94 0.18 4.98 0.52 -0.85 -0.82 118.95 119.99 1x69 s ARG 54 Ca 0.29 -0.27 -0.06 0.00 -0.52 0.00 0.00 55.73 55.18 1x69 s ARG 54 Cb 0.06 -1.68 -0.02 0.00 0.52 0.00 0.00 34.95 33.83 1x69 s ARG 54 CO 0.08 -0.44 0.22 0.20 0.02 0.00 0.00 175.30 175.38 1x69 s GLY 55 N 1.82 0.87 -0.58 -3.53 0.00 -1.24 0.39 107.32 105.05 1x69 s GLY 55 Ca 0.02 -1.24 -0.24 0.00 0.00 0.00 0.00 44.72 43.25 1x69 s GLY 55 CO -0.07 -1.08 0.97 0.14 0.00 0.00 0.00 173.10 173.06 1x69 s VAL 56 N -4.05 4.33 -0.07 1.40 1.01 0.69 -3.63 120.40 120.08 1x69 s VAL 56 Ca 0.26 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.47 1x69 s VAL 56 Cb 0.05 -4.59 -0.02 0.00 0.00 0.00 0.00 36.38 31.82 1x69 s VAL 56 CO 0.05 -1.21 -0.18 0.00 0.00 0.00 0.00 175.10 173.76 1x69 n LYS 58 N 2.78 -2.98 -2.07 0.00 4.76 -1.26 0.22 118.16 119.62 1x69 n LYS 58 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 1x69 n LYS 58 Cb 0.52 -4.47 0.00 0.00 -1.84 0.00 0.00 35.03 29.24 1x69 n LYS 58 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x69 n GLY 59 N -0.50 0.70 2.90 0.72 0.00 -1.26 -5.06 105.19 102.68 1x69 n GLY 59 Ca 0.00 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 1x69 n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x69 s ARG 60 N -4.17 0.07 -0.33 1.61 1.81 0.61 -5.13 118.95 113.43 1x69 s ARG 60 Ca 0.00 0.55 -0.06 0.00 -1.72 0.00 0.00 55.73 54.49 1x69 s ARG 60 Cb 0.00 -0.21 0.03 0.00 -0.45 0.00 0.00 34.95 34.32 1x69 s ARG 60 CO 0.00 -0.26 0.10 -0.47 -0.68 0.00 0.00 175.30 173.98 1x69 s TYR 61 N 1.99 3.22 0.25 -0.53 5.04 -1.26 -0.20 117.35 125.87 1x69 s TYR 61 Ca -0.01 -1.31 -0.08 0.00 -2.44 0.00 0.00 57.07 53.23 1x69 s TYR 61 Cb -0.12 -2.27 0.03 0.00 0.35 0.00 0.00 41.96 39.96 1x69 s TYR 61 CO -0.06 -0.69 0.47 0.41 -1.34 0.00 0.00 175.55 174.34 1x69 n GLY 62 N 4.82 1.54 3.77 8.97 0.00 -1.24 -4.96 105.19 118.10 1x69 n GLY 62 Ca -0.13 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.28 1x69 n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x69 s LEU 63 N 0.00 4.40 -0.19 0.99 1.43 0.12 -3.60 118.68 121.83 1x69 s LEU 63 Ca 0.12 1.87 -0.24 0.00 -1.03 0.00 0.00 54.13 54.85 1x69 s LEU 63 Cb -0.03 -3.94 0.06 0.00 0.03 0.00 0.00 46.19 42.32 1x69 s LEU 63 CO 0.09 -0.04 0.63 0.72 0.23 0.00 0.00 176.35 177.98 1x69 s PHE 64 N -1.52 -0.67 0.14 0.29 -0.12 -0.00 -2.56 117.98 113.53 1x69 s PHE 64 Ca 0.49 1.53 -0.31 0.00 -0.05 0.00 0.00 56.93 58.59 1x69 s PHE 64 Cb -0.20 0.27 -0.08 0.00 -0.63 0.00 0.00 43.02 42.37 1x69 s PHE 64 CO 0.26 -0.39 1.35 -1.25 -0.05 0.00 0.00 175.22 175.13 1x69 s PRO 65 N -0.04 4.35 0.00 1.99 0.04 -1.26 -0.33 135.00 139.75 1x69 s PRO 65 Ca -0.03 2.04 0.26 0.00 0.04 0.00 0.00 61.00 63.31 1x69 s PRO 65 Cb -0.04 -3.24 1.52 0.00 0.04 0.00 0.00 34.50 32.78 1x69 s PRO 65 CO 0.03 -0.36 1.92 0.00 0.04 0.00 0.00 177.00 178.62 1x69 n ALA 66 N 3.54 2.44 0.05 8.56 0.00 0.60 -2.98 120.51 132.72 1x69 n ALA 66 Ca 0.10 -0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 1x69 n ALA 66 Cb 0.43 -1.43 -0.12 0.00 0.00 0.00 0.00 19.45 18.33 1x69 n ALA 66 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1x69 h ASN 67 N 0.00 0.04 -0.17 0.00 2.35 -1.91 -3.20 115.58 112.69 1x69 h ASN 67 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1x69 h ASN 67 Cb 0.05 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1x69 h ASN 67 CO 0.00 1.04 0.00 -1.22 -1.65 0.00 0.00 177.43 175.60 1x69 n TYR 68 N -3.33 0.23 -4.11 1.19 4.02 -1.16 -4.86 117.16 109.13 1x69 n TYR 68 Ca -0.03 -0.11 -0.09 0.00 -0.01 0.00 0.00 57.90 57.66 1x69 n TYR 68 Cb 0.96 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.19 1x69 n TYR 68 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1x69 s VAL 69 N -1.77 0.13 -0.11 -0.72 -7.23 -1.21 -0.80 120.40 108.68 1x69 s VAL 69 Ca 0.24 -1.81 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1x69 s VAL 69 Cb 0.13 -1.87 0.03 0.00 0.56 0.00 0.00 36.38 35.23 1x69 s VAL 69 CO 0.19 -0.59 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.63 1x69 s GLU 70 N -4.00 1.27 0.35 4.82 2.12 0.12 -4.89 118.70 118.49 1x69 s GLU 70 Ca 0.18 -0.19 -0.28 0.00 0.36 0.00 0.00 54.97 55.04 1x69 s GLU 70 Cb 0.07 -1.49 -0.12 0.00 0.26 0.00 0.00 34.13 32.85 1x69 s GLU 70 CO -0.02 -0.30 1.28 1.28 -0.54 0.00 0.00 175.26 176.96 1x69 n LEU 71 N 4.99 3.54 -0.51 2.70 4.77 -1.26 -1.33 117.00 129.90 1x69 n LEU 71 Ca -0.11 1.20 0.09 0.00 -0.03 0.00 0.00 56.01 57.16 1x69 n LEU 71 Cb 0.50 -1.48 0.02 0.00 -2.33 0.00 0.00 43.42 40.13 1x69 n LEU 71 CO 0.15 -0.52 0.35 0.54 -1.33 0.00 0.00 177.39 176.58 1x69 n ARG 72 N 0.52 1.57 -0.04 3.23 1.74 -0.14 -3.99 116.66 119.55 1x69 n ARG 72 Ca 0.05 -1.09 -0.13 0.00 -0.77 0.00 0.00 57.85 55.91 1x69 n ARG 72 Cb 0.36 -1.35 -0.08 0.00 -1.02 0.00 0.00 32.46 30.37 1x69 n ARG 72 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1x69 h GLN 73 N 2.50 0.19 0.00 5.56 1.08 -1.91 -3.38 115.11 119.15 1x69 h GLN 73 Ca 0.00 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1x69 h GLN 73 Cb 0.67 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 1x69 h GLN 73 CO 0.00 0.62 -0.30 0.77 -0.95 0.00 0.00 178.83 178.96 1x69 h SER 74 N -0.23 0.00 -4.91 1.46 0.02 -1.95 -3.50 113.55 104.44 1x69 h SER 74 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1x69 h SER 74 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1x69 h SER 74 CO 0.02 0.60 -0.49 0.61 -1.14 0.00 0.00 176.83 176.44 1x69 n GLY 75 N 1.69 -1.66 3.77 -3.77 0.00 -1.26 -4.97 105.19 98.99 1x69 n GLY 75 Ca -0.04 0.95 -0.36 0.00 0.00 0.00 0.00 46.02 46.57 1x69 n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x69 s PRO 76 N -2.21 3.54 0.00 1.61 0.04 -1.26 -4.92 135.00 131.79 1x69 s PRO 76 Ca 0.18 1.68 0.21 0.00 0.04 0.00 0.00 61.00 63.11 1x69 s PRO 76 Cb -0.05 -2.18 0.90 0.00 0.04 0.00 0.00 34.50 33.21 1x69 s PRO 76 CO 0.65 -0.71 1.67 -1.13 0.04 0.00 0.00 177.00 177.52 1x69 n SER 77 N -0.94 0.00 -3.84 6.66 3.41 -1.26 -4.07 113.62 113.58 1x69 n SER 77 Ca 0.10 0.47 -0.28 0.00 -0.26 0.00 0.00 58.87 58.90 1x69 n SER 77 Cb 0.50 -0.49 -0.12 0.00 -0.26 0.00 0.00 64.21 63.84 1x69 n SER 77 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x69 n SER 78 N -1.49 2.66 0.00 4.04 3.41 -1.26 -5.37 113.62 115.61 1x69 n SER 78 Ca 0.05 -3.13 0.00 0.00 -0.26 0.00 0.00 58.87 55.54 1x69 n SER 78 Cb 0.24 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 1x69 n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49